Found 2 hits Enz. Inhib. hit(s) with all data for entry = 50034886 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Antithrombin-III
(Homo sapiens (Human)) | BDBM50421408
(CHEMBL2303815)Show SMILES CO[C@H]1O[C@@H](COS(O)(=O)=O)[C@@H](O[C@@H]2O[C@H]([C@H](O[C@H]3O[C@@H](COS(O)(=O)=O)[C@@H](O[C@@H]4O[C@H]([C@@H](O[C@H]5O[C@@H](COS(O)(=O)=O)[C@@H](OC)[C@H](OC)[C@@H]5OC)[C@H](OC)[C@@H]4OC)C(O)=O)[C@H](OS(O)(=O)=O)[C@@H]3OS(O)(=O)=O)[C@H](OC)[C@H]2OC)C(O)=O)[C@H](OS(O)(=O)=O)[C@@H]1OS(O)(=O)=O |r| Show InChI InChI=1S/C38H64O49S7/c1-64-15-12(9-72-88(43,44)45)76-35(27(68-5)18(15)65-2)80-21-19(66-3)28(69-6)37(82-25(21)32(39)40)79-17-14(11-74-90(49,50)51)77-38(31(87-94(61,62)63)24(17)85-92(55,56)57)81-22-20(67-4)29(70-7)36(83-26(22)33(41)42)78-16-13(10-73-89(46,47)48)75-34(71-8)30(86-93(58,59)60)23(16)84-91(52,53)54/h12-31,34-38H,9-11H2,1-8H3,(H,39,40)(H,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)/t12-,13-,14-,15+,16+,17+,18-,19-,20-,21-,22+,23-,24-,25+,26+,27-,28-,29+,30-,31-,34-,35+,36+,37+,38+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro binding affinity against antithrombin III (AT III) was determined by fluorescence spectroscopy |
Bioorg Med Chem Lett 7: 1507-1510 (1997)
Article DOI: 10.1016/S0960-894X(97)00252-7
BindingDB Entry DOI: 10.7270/Q2JD4X9F |
More data for this
Ligand-Target Pair | |
Antithrombin-III
(Homo sapiens (Human)) | BDBM50421407
(CHEMBL2303814)Show SMILES CO[C@H]1O[C@@H](COS(O)(=O)=O)[C@@H](O[C@@H]2O[C@H]([C@H](O[C@H]3O[C@@H](COS(O)(=O)=O)[C@@H](O[C@@H]4O[C@H]([C@@H](C[C@H]5O[C@@H](COS(O)(=O)=O)[C@@H](OC)[C@H](OC)[C@@H]5OC)[C@H](OC)[C@@H]4OC)C(O)=O)[C@H](OS(O)(=O)=O)[C@@H]3OS(O)(=O)=O)[C@H](OC)[C@H]2OC)C(O)=O)[C@H](OS(O)(=O)=O)[C@@H]1OS(O)(=O)=O |r| Show InChI InChI=1S/C39H66O48S7/c1-65-18-13(9-14-20(66-2)24(68-4)21(67-3)15(76-14)10-73-88(44,45)46)19(34(40)41)79-37(30(18)70-6)80-23-17(12-75-90(50,51)52)78-39(33(87-94(62,63)64)28(23)85-92(56,57)58)82-26-25(69-5)31(71-7)38(83-29(26)35(42)43)81-22-16(11-74-89(47,48)49)77-36(72-8)32(86-93(59,60)61)27(22)84-91(53,54)55/h13-33,36-39H,9-12H2,1-8H3,(H,40,41)(H,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)/t13-,14+,15-,16-,17-,18-,19+,20+,21+,22+,23+,24+,25-,26+,27-,28-,29+,30-,31+,32-,33-,36-,37-,38+,39+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro binding affinity against antithrombin III (AT III) was determined by fluorescence spectroscopy |
Bioorg Med Chem Lett 7: 1507-1510 (1997)
Article DOI: 10.1016/S0960-894X(97)00252-7
BindingDB Entry DOI: 10.7270/Q2JD4X9F |
More data for this
Ligand-Target Pair | |
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